7W1A

Crystal Structure of MPH-E in complex with GMP and Azithromycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.973
Spacegroup name	P 1 21 1
Unit cell lengths	81.014, 45.852, 89.677
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	40.490 - 2.170
R-factor	0.2559
Rwork	0.254
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5igj
RMSD bond length	0.017
RMSD bond angle	1.628
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.210
High resolution limit [Å]	2.170	2.170
Rmeas	0.082	0.710
Number of reflections	33719	1617
<I/σ(I)>	18	1.5
Completeness [%]	99.2	99.2
Redundancy	3.2	2.7
CC(1/2)	0.986	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.2M Ammonium acetate, 0.01M Mggnesium acetate tetrahydrate, 0.05M sodium cacodylate pH6.5, 30% PEG 8000 (20% Glycerol as cryoprotectant)